锌铝合金中稀土及杂质的晶界行为 - Journal of Northeastern University.PDF

第28 卷第2期 东 北 大 学 学 报 ( 自 然 科 学 版 ) Vol28, No. 2 2 00 7 年 2 月 Journal of Northeastern U ni ersity( Natural Science) Feb. 2 0 0 7 1 1 2 2 张国英 , 刘春明, 魏 丹, 王 丹 ( 1. , 110004; 2. , 110034) : ZA27 , ZA27 , , , , : ; ; ; ; : T G 1111 : A : 1005-3026( 2007) 02-0209-04 Grain Boundary Behavior of Rare Earths and Impurities in ZA Alloy 1 1 2 2 ZH A N G Guo-y ing , LI U Chun-m ing , WEI D an , WA N G Dan ( 1. School of Materials Metallurgy, Nort heastern Uni ersity, Shenyang 110004, China; 2. College of Physics Science and T echnology, Shenyang Normal Uni ersity , Shenyang 110034, China. Correspondent: ZHA NG Guo- ying, E-mail: gyzhang 1965 @ sina. com) Abstract : Experimental results show ed that rare earth ( RE) and impurities are liable to segregate on grain boundaries ( GB) and affect greatly the properties of ZA alloy. To understand theoretically the rele ant process, an atomic cluster of liquid ZA27 w as formed by w ay of molecular dynamics, the atomic structure models of phase/ liquid interface and of phase big angle GB w ere established. Recursi e method w as used to calculate the en ironment-sensiti e embedding energy ( EESE ) of RE/ impurities in grains and on solid/ liquid interface and phase GB, thus discussing the influence of REs or impurities on the electron transfer betw een Al and Zn. T he calculation results expounded theoretically that REs and impurities are both enriched in the liquid in front of the solid/ liquid interface during crystallization. After solidification, the